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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Endothelin receptor type B
Species	Homo sapiens (Human)
Gene	EDNRB
Synonym	endothelin B receptor HSCR2 HSCR ETB receptor ET-BR ET-B Endothelin receptor non-selective type [ Show all ]
Disease	Arrhythmia Hypertension Pulmonary arterial hypertension Solid tumours Cancer Cardiovascular disorder [ Show all ]
Length	442
Amino acid sequence	MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P24530
Protein Data Bank	6igl, 6igk, 5xpr, 5x93
GPCR-HGmod model	P24530
3D structure model	This structure is from PDB ID 6igl.
BioLiP	BL0388813, BL0433639, BL0433638, BL0388896, BL0388814
Therapeutic Target Database	T92828
ChEMBL	CHEMBL1785
IUPHAR	220
DrugBank	BE0000043

Ligand

Name	CHEMBL432815
Molecular formula	C19H21BrN2O3S2
IUPAC name	N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-[2-methyl-4-(2-methylpropyl)phenyl]thiophene-2-sulfonamide
Molecular weight	469.412
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.9
Synonyms	SCHEMBL4632008 3-(4-Isobutyl-2-methyl-phenyl)-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide BDBM50288275
Inchi Key	AWUGISSFNNESFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21BrN2O3S2/c1-11(2)9-14-5-6-15(12(3)10-14)16-7-8-26-19(16)27(23,24)22-18-17(20)13(4)21-25-18/h5-8,10-11,22H,9H2,1-4H3
PubChem CID	23445250
ChEMBL	CHEMBL432815
IUPHAR	N/A
BindingDB	50288275
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1505.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:22:2651	BindingDB,ChEMBL

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